CID 12311091

(-)-isolonchocarpin

Structural Information

Molecular Formula
C20H18O3
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC(CC3=O)C4=CC=CC=C4)C
InChI
InChI=1S/C20H18O3/c1-20(2)11-10-15-17(23-20)9-8-14-16(21)12-18(22-19(14)15)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3
InChIKey
GJRSGESHUAFWMY-UHFFFAOYSA-N
Compound name
8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-f]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.12558 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13286 171.0
[M+Na]+ 329.11480 179.9
[M-H]- 305.11830 180.8
[M+NH4]+ 324.15940 187.1
[M+K]+ 345.08874 177.5
[M+H-H2O]+ 289.12284 162.1
[M+HCOO]- 351.12378 187.2
[M+CH3COO]- 365.13943 182.8
[M+Na-2H]- 327.10025 178.1
[M]+ 306.12503 171.7
[M]- 306.12613 171.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.